pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C20H25N3O4 — CID 1072126

IUPACpyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C20H25N3O4/c1-25-17-13-19(27-3)18(26-2)12-16(17)14-22-8-10-23(11-9-22)20(24)15-4-6-21-7-5-15/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyPHNOTMGFMSQKOJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.07
Rot. Bonds6

About pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 1072126) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID1072126
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namepyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C20H25N3O4/c1-25-17-13-19(27-3)18(26-2)12-16(17)14-22-8-10-23(11-9-22)20(24)15-4-6-21-7-5-15/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyPHNOTMGFMSQKOJ-UHFFFAOYSA-N
XLogP2.07
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

oxalic acid;pyridin-3-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366212
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 51189808
naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122414
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
[4-(4,5-dimethoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803086
[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 1131754
[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 1002532
3-methyl-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203197
2-(3,4-dimethoxyphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108547964
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-iodophenyl)methanone
CID 31792217
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 17463626
2-(2-methoxy-5-methylphenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110803118

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 1072126) is pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is PHNOTMGFMSQKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-17-13-19(27-3)18(26-2)12-16(17)14-22-8-10-23(11-9-22)20(24)15-4-6-21-7-5-15/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1072126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).